@MOLECULE (2r,5s)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 40 42 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.6162 -0.5895 0.4800 O.3 1 UNL1111111 -0.4173 2 O 1.2353 2.2968 -1.6300 O.3 1 UNL1111111 -0.5855 3 O 0.1356 1.9620 0.2712 O.2 1 UNL1111111 -0.4985 4 O -1.2379 -1.5423 -1.4558 O.2 1 UNL1111111 -0.5198 5 N 3.2071 0.5736 0.5422 N.3 1 UNL1111111 -0.4241 6 C 2.8463 0.0998 -0.8230 C.3 1 UNL1111111 0.0591 7 C 2.9748 -0.6454 1.3689 C.3 1 UNL1111111 0.0551 8 C 1.2918 0.0958 -0.8574 C.3 1 UNL1111111 -0.2568 9 C 3.3984 -1.3503 -0.9416 C.3 1 UNL1111111 -0.3159 10 C 3.4965 -1.8437 0.5177 C.3 1 UNL1111111 -0.3187 11 C 1.4456 -0.7301 1.5635 C.3 1 UNL1111111 -0.3238 12 C 0.7520 -0.8895 0.2036 C.3 1 UNL1111111 0.1594 13 C 4.5814 1.0920 0.6332 C.3 1 UNL1111111 -0.2734 14 C 0.8106 1.4976 -0.6054 C.2 1 UNL1111111 0.6757 15 C -1.5328 -0.9212 -0.4640 C.2 1 UNL1111111 0.6075 16 C -2.8595 -0.4132 -0.0785 C.ar 1 UNL1111111 -0.1476 17 C -3.9951 -1.0568 -0.5738 C.ar 1 UNL1111111 -0.0819 18 C -2.9720 0.7058 0.7483 C.ar 1 UNL1111111 -0.0676 19 C -5.2561 -0.5795 -0.2274 C.ar 1 UNL1111111 -0.1823 20 C -4.2377 1.1784 1.0883 C.ar 1 UNL1111111 -0.1804 21 C -5.3756 0.5353 0.6032 C.ar 1 UNL1111111 -0.1006 22 H 3.2452 0.7734 -1.6107 H 1 UNL1111111 0.1542 23 H 3.4865 -0.5732 2.3489 H 1 UNL1111111 0.1346 24 H 0.9407 -0.2273 -1.8733 H 1 UNL1111111 0.1951 25 H 4.3835 -1.3501 -1.4322 H 1 UNL1111111 0.1418 26 H 2.7509 -1.9908 -1.5571 H 1 UNL1111111 0.1516 27 H 2.9066 -2.7541 0.6909 H 1 UNL1111111 0.1470 28 H 4.5328 -2.0918 0.7886 H 1 UNL1111111 0.1376 29 H 1.1747 -1.5550 2.2412 H 1 UNL1111111 0.1497 30 H 1.0833 0.2062 2.0482 H 1 UNL1111111 0.1902 31 H 0.8142 -1.9355 -0.1750 H 1 UNL1111111 0.1443 32 H 5.3644 0.3746 0.3474 H 1 UNL1111111 0.1223 33 H 4.7676 1.4224 1.6694 H 1 UNL1111111 0.1484 34 H 4.6690 1.9838 -0.0115 H 1 UNL1111111 0.1504 35 H 0.9776 3.2420 -1.5229 H 1 UNL1111111 0.3536 36 H -3.8878 -1.9222 -1.2306 H 1 UNL1111111 0.1665 37 H -2.0700 1.2097 1.1180 H 1 UNL1111111 0.1913 38 H -6.1476 -1.0741 -0.6070 H 1 UNL1111111 0.1542 39 H -4.3349 2.0510 1.7314 H 1 UNL1111111 0.1569 40 H -6.3639 0.9064 0.8716 H 1 UNL1111111 0.1474 @BOND 1 24 8 1 2 2 35 1 3 2 14 1 4 22 6 1 5 26 9 1 6 4 15 2 7 25 9 1 8 36 17 1 9 9 6 1 10 9 10 1 11 8 6 1 12 8 14 1 13 8 12 1 14 6 5 1 15 38 19 1 16 14 3 2 17 17 19 ar 18 17 16 ar 19 15 16 1 20 15 1 1 21 19 21 ar 22 31 12 1 23 16 18 ar 24 34 13 1 25 12 1 1 26 12 11 1 27 32 13 1 28 10 27 1 29 10 28 1 30 10 7 1 31 5 13 1 32 5 7 1 33 21 40 1 34 21 20 ar 35 13 33 1 36 18 20 ar 37 18 37 1 38 20 39 1 39 7 11 1 40 7 23 1 41 11 30 1 42 11 29 1